3-(4-methylsulfonylphenyl)-1-piperazin-1-yl-isoquinoline

Systemtic Name: 3-(4-methylsulfonylphenyl)-1-piperazin-1-yl-isoquinoline Openeye Name: 3-(4-methylsulfonylphenyl)-1-piperazin-1-yl-isoquinoline CAS Name: 3-(4-methylsulfonylphenyl)-1-(1-piperazinyl)isoquinoline IUPAC Name: 3-(4-methylsulfonylphenyl)-1-piperazin-1-ylisoquinoline Traditional Name: 3-(4-mesylphenyl)-1-piperazino-isoquinoline Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCNCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCNCC4

InChI

InChI=1S/C20H21N3O2S/c1-26(24,25)17-8-6-15(7-9-17)19-14-16-4-2-3-5-18(16)20(22-19)23-12-10-21-11-13-23/h2-9,14,21H,10-13H2,1H3